2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 143865
• Molecular Formular: C9H10Cl2N2
• Molecular Mass: 217.0951
• Monoisotopic Mass: 216.02210369
• SMILES: Cc1ccc2nc(cn2c1)CCl.Cl
• Canonical SMILES: ClCc1cn2c(n1)ccc(c2)C.Cl
• InChI: InChI=1S/C9H9ClN2.ClH/c1-7-2-3-9-11-8(4-10)6-12(9)5-7;/h2-3,5-6H,4H2,1H3;1H
• InChIKey: BNAOKMVYFOMSDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 2-(Chloromethyl)-6-methylimidazo[1,2-a]pyridine hydrochloride; 2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine hydrochloride

Database IDs

• CAS Number: 118000-40-1
• MDL Number: MFCD07313474
• PubChem SID: 162238082
• PubChem CID: 16248807

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2074817
• LogD (pH = 7.4): 1.9147545
• Log P: 1.9416848
• Molar Refractivity: 50.3223 cm^3
• Polarizability: 18.707232 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 2.267

Product Information

• Purity: 95%
• Salt Data: HCl
• Empirical Formula (Hill Notation): C9H10Cl2N2

DETAILS

Sigma Aldrich - CBR00776

Other Notes
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